1-ethenylsulfonyl-3-methoxypropane

C6H12O3S — CID 63857366

IUPAC1-ethenylsulfonyl-3-methoxypropane
SMILESC=CS(=O)(=O)CCCOC
InChIInChI=1S/C6H12O3S/c1-3-10(7,8)6-4-5-9-2/h3H,1,4-6H2,2H3
InChIKeyVIROYJDTHCAUBB-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.58
Rot. Bonds5

About 1-ethenylsulfonyl-3-methoxypropane

1-ethenylsulfonyl-3-methoxypropane (PubChem CID 63857366) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3-methoxypropane.

Molecular Properties

Compound Name1-ethenylsulfonyl-3-methoxypropane
PubChem CID63857366
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-ethenylsulfonyl-3-methoxypropane
SMILESC=CS(=O)(=O)CCCOC
InChIInChI=1S/C6H12O3S/c1-3-10(7,8)6-4-5-9-2/h3H,1,4-6H2,2H3
InChIKeyVIROYJDTHCAUBB-UHFFFAOYSA-N
XLogP0.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3-methoxypropane?
The IUPAC name of 1-ethenylsulfonyl-3-methoxypropane (CID 63857366) is 1-ethenylsulfonyl-3-methoxypropane.
What is the SMILES notation for 1-ethenylsulfonyl-3-methoxypropane?
The canonical SMILES for 1-ethenylsulfonyl-3-methoxypropane is C=CS(=O)(=O)CCCOC.
What is the InChIKey of 1-ethenylsulfonyl-3-methoxypropane?
The InChIKey is VIROYJDTHCAUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-10(7,8)6-4-5-9-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-ethenylsulfonyl-3-methoxypropane?
1-ethenylsulfonyl-3-methoxypropane has a molecular weight of 164.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3-methoxypropane is sourced from PubChem (CID 63857366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).